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Information card for entry 1557918
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| Coordinates | 1557918.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 1,4,7,10-Tetraazabicyclo[5.5.3]pentadecane Dibromide Perchlorate |
|---|---|
| Formula | C11 H27 Br2 Cl N4 O4 |
| Calculated formula | C11 Br2 Cl N4 O4 |
| SMILES | C1CN2CC[NH2+]CC[NH+](CC[NH2+]1)CCC2.Cl(=O)(=O)(=O)[O-].[Br-].[Br-] |
| Title of publication | Synthesis and Crystal Structure of a Small Bicyclic Tetraaza Proton Sponge, 1,4,7,10-Tetraazabicyclo[5.5.3]pentadecane Dibromide Perchlorate. |
| Authors of publication | Springborg, Johan; Kofod, Pauli; Olsen, Carl Erik; Toftlund, Hans; Sotofte, Inger |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1995 |
| Journal volume | 49 |
| Pages of publication | 547 - 554 |
| a | 17.583 ± 0.004 Å |
| b | 8.664 ± 0.003 Å |
| c | 11.707 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1783.4 ± 0.9 Å3 |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 6 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for significantly intense reflections | 0.0471 |
| Weighted residual factors for all reflections included in the refinement | 0.0803 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 251186 (current) | 2020-04-27 | cif/ Adding structures of 1557918 via cif-deposit CGI script. |
1557918.cif |
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